3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine

C9H16N2O — CID 23006357

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)noc1C
InChIInChI=1S/C9H16N2O/c1-7-9(5-4-6-10-3)8(2)12-11-7/h10H,4-6H2,1-3H3
InChIKeyUGVZDRAXMKEJAK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.44
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine (PubChem CID 23006357) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
PubChem CID23006357
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)noc1C
InChIInChI=1S/C9H16N2O/c1-7-9(5-4-6-10-3)8(2)12-11-7/h10H,4-6H2,1-3H3
InChIKeyUGVZDRAXMKEJAK-UHFFFAOYSA-N
XLogP1.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)propane-1-sulfonamide
CID 79238152
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 115727487
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 84593662
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylsulfonylpropanamide
CID 131925760
(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
CID 129433141
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluoro-N-methylpropan-1-amine
CID 122239897

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine (CID 23006357) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine is CNCCCc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is UGVZDRAXMKEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-9(5-4-6-10-3)8(2)12-11-7/h10H,4-6H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 23006357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).